Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'weggen' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX1 after 5 mins				J Med Chem 53: 4691-700 (2010) Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 after 5 mins				J Med Chem 53: 4691-700 (2010) Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50110164 ((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...) Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9| Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX1 after 5 mins				J Med Chem 53: 4691-700 (2010) Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50097346 ((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...) Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 after 5 mins				J Med Chem 53: 4691-700 (2010) Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50110164 ((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...) Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9| Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 after 5 mins				J Med Chem 53: 4691-700 (2010) Article DOI: 10.1021/jm1003073 BindingDB Entry DOI: 10.7270/Q2N016PB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50097346 ((+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid ...) Show SMILES CC(C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis				Bioorg Med Chem 19: 5372-82 (2011) Article DOI: 10.1016/j.bmc.2011.08.003 BindingDB Entry DOI: 10.7270/Q2JQ11D0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50396066 (CHEMBL1819479) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062727 (CHEMBL3397721) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062724 (CHEMBL3397723) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C33H30F3NO5/c1-2-3-6-25(32(38)39)19-26-20-29(16-17-30(26)41-22-23-8-12-27(13-9-23)33(34,35)36)40-21-24-10-14-28(15-11-24)42-31-7-4-5-18-37-31/h4-5,7-20H,2-3,6,21-22H2,1H3,(H,38,39)/b25-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062722 (CHEMBL3397726) Show SMILES CCCC\C(=C/c1cc(OCC(c2ccccc2)c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C35H33F3O4/c1-2-3-10-28(34(39)40)21-29-22-31(19-20-33(29)42-23-25-15-17-30(18-16-25)35(36,37)38)41-24-32(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-22,32H,2-3,10,23-24H2,1H3,(H,39,40)/b28-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062731 (CHEMBL3397717) Show SMILES CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H25F9O4/c1-2-3-4-20(27(40)41)13-21-14-25(9-10-26(21)43-16-18-5-7-22(8-6-18)28(31,32)33)42-17-19-11-23(29(34,35)36)15-24(12-19)30(37,38)39/h5-15H,2-4,16-17H2,1H3,(H,40,41)/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062730 (CHEMBL3397716) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062729 (CHEMBL3397715) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062723 (CHEMBL3397728) Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062621 (CHEMBL3397710) Show SMILES CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50273683 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...) Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062727 (CHEMBL3397721) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062733 (CHEMBL3397719) Show SMILES CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062731 (CHEMBL3397717) Show SMILES CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H25F9O4/c1-2-3-4-20(27(40)41)13-21-14-25(9-10-26(21)43-16-18-5-7-22(8-6-18)28(31,32)33)42-17-19-11-23(29(34,35)36)15-24(12-19)30(37,38)39/h5-15H,2-4,16-17H2,1H3,(H,40,41)/b20-13+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50322460 (2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...) Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062728 (CHEMBL3397720) Show SMILES CCCC\C(=C/c1cc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C32H27F6NO4S/c1-2-3-4-22(30(40)41)15-23-16-27(13-14-28(23)43-17-20-5-9-24(10-6-20)31(33,34)35)42-18-26-19-44-29(39-26)21-7-11-25(12-8-21)32(36,37)38/h5-16,19H,2-4,17-18H2,1H3,(H,40,41)/b22-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062721 (CHEMBL3397724) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062726 (CHEMBL3397727) Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O |(5.33,-7.4,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.55,;6.67,-.78,;8,-1.56,;7.99,-3.1,;9.32,-3.88,;9.32,-5.42,;10.65,-6.19,;11.99,-5.42,;11.99,-3.88,;10.66,-3.11,;13.32,-6.2,;13.32,-7.43,;14.39,-5.58,;14.38,-6.82,;6.67,.76,;5.34,1.53,;4.01,.77,;2.68,1.54,;2.68,3.08,;1.35,3.86,;1.36,5.4,;.02,6.17,;-1.31,5.41,;-1.32,3.87,;.02,3.09,;-2.64,6.18,;-2.64,7.41,;-3.71,5.57,;-3.71,6.8,;1.33,-3.85,;1.32,-5.08,;.26,-3.23,)| Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50396066 (CHEMBL1819479) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062723 (CHEMBL3397728) Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062730 (CHEMBL3397716) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062726 (CHEMBL3397727) Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O |(5.33,-7.4,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.55,;6.67,-.78,;8,-1.56,;7.99,-3.1,;9.32,-3.88,;9.32,-5.42,;10.65,-6.19,;11.99,-5.42,;11.99,-3.88,;10.66,-3.11,;13.32,-6.2,;13.32,-7.43,;14.39,-5.58,;14.38,-6.82,;6.67,.76,;5.34,1.53,;4.01,.77,;2.68,1.54,;2.68,3.08,;1.35,3.86,;1.36,5.4,;.02,6.17,;-1.31,5.41,;-1.32,3.87,;.02,3.09,;-2.64,6.18,;-2.64,7.41,;-3.71,5.57,;-3.71,6.8,;1.33,-3.85,;1.32,-5.08,;.26,-3.23,)| Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062730 (CHEMBL3397716) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062719 (CHEMBL3397709) Show SMILES CCCC\C(=C/c1cc(Oc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C27H25F3O4/c1-2-3-7-20(26(31)32)16-21-17-24(34-23-8-5-4-6-9-23)14-15-25(21)33-18-19-10-12-22(13-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b20-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062721 (CHEMBL3397724) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062728 (CHEMBL3397720) Show SMILES CCCC\C(=C/c1cc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C32H27F6NO4S/c1-2-3-4-22(30(40)41)15-23-16-27(13-14-28(23)43-17-20-5-9-24(10-6-20)31(33,34)35)42-18-26-19-44-29(39-26)21-7-11-25(12-8-21)32(36,37)38/h5-16,19H,2-4,17-18H2,1H3,(H,40,41)/b22-15+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50062732 (CHEMBL3397718) Show SMILES CCCC\C(=C/c1cc(OCc2cccnc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C27H26F3NO4/c1-2-3-6-21(26(32)33)14-22-15-24(34-18-20-5-4-13-31-16-20)11-12-25(22)35-17-19-7-9-23(10-8-19)27(28,29)30/h4-5,7-16H,2-3,6,17-18H2,1H3,(H,32,33)/b21-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062737 (CHEMBL3397729) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(c(SC(C)(C)C)c2c1)C(C)(C)C(O)=O Show InChI InChI=1S/C26H32ClNO2S/c1-16(2)18-10-13-21-20(14-18)22(31-25(3,4)5)23(26(6,7)24(29)30)28(21)15-17-8-11-19(27)12-9-17/h8-14,16H,15H2,1-7H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062726 (CHEMBL3397727) Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O |(5.33,-7.4,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.55,;6.67,-.78,;8,-1.56,;7.99,-3.1,;9.32,-3.88,;9.32,-5.42,;10.65,-6.19,;11.99,-5.42,;11.99,-3.88,;10.66,-3.11,;13.32,-6.2,;13.32,-7.43,;14.39,-5.58,;14.38,-6.82,;6.67,.76,;5.34,1.53,;4.01,.77,;2.68,1.54,;2.68,3.08,;1.35,3.86,;1.36,5.4,;.02,6.17,;-1.31,5.41,;-1.32,3.87,;.02,3.09,;-2.64,6.18,;-2.64,7.41,;-3.71,5.57,;-3.71,6.8,;1.33,-3.85,;1.32,-5.08,;.26,-3.23,)| Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062727 (CHEMBL3397721) Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062723 (CHEMBL3397728) Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Duesseldorf Curated by ChEMBL					Assay Description Inhibition of bovine pancreas alpha-chymotrypsin using KSp21 as substrate preincubated for 30 mins followed by substrate addition measured after 50 t...				Bioorg Med Chem Lett 28: 1417-1422 (2018) Article DOI: 10.1016/j.bmcl.2018.02.017 BindingDB Entry DOI: 10.7270/Q2HX1G8B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436209 (CHEMBL2398571) Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21 Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50436209 (CHEMBL2398571) Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21 Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...				Bioorg Med Chem Lett 23: 3852-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.070 BindingDB Entry DOI: 10.7270/Q2DF6SMP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062733 (CHEMBL3397719) Show SMILES CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062729 (CHEMBL3397715) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062736 (CHEMBL3397712) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(CCCC)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C32H35F3O4/c1-3-5-7-23-9-11-24(12-10-23)21-38-29-17-18-30(27(20-29)19-26(31(36)37)8-6-4-2)39-22-25-13-15-28(16-14-25)32(33,34)35/h9-20H,3-8,21-22H2,1-2H3,(H,36,37)/b26-19+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062724 (CHEMBL3397723) Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C33H30F3NO5/c1-2-3-6-25(32(38)39)19-26-20-29(16-17-30(26)41-22-23-8-12-27(13-9-23)33(34,35)36)40-21-24-10-14-28(15-11-24)42-31-7-4-5-18-37-31/h4-5,7-20H,2-3,6,21-22H2,1H3,(H,38,39)/b25-19+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50322460 (2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...) Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062621 (CHEMBL3397710) Show SMILES CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 247 total )  |  Next  |  Last  >>

Jump to: